Influence of an electric‐field on the topological stability of the neutral lithium dimer.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 18, p. 1, doi. 10.1002/qua.27180
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2023 AND VI 123 AND IP 18
Results: 11
1
2
P3CPenT as an organic hole transport layer for perovskite solar cells.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 18, p. 1, doi. 10.1002/qua.27149
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- Publication type:
- Article
3
An experimental and DFT investigations of fused ring anthracenyl chalcones with effective modification in acceptor moiety: Nonlinear optical and optical limiting response.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 18, p. 1, doi. 10.1002/qua.27178
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- Publication type:
- Article
4
Analytic geometric gradients for the polarizable density embedding model.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 18, p. 1, doi. 10.1002/qua.27177
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- Publication type:
- Article
5
Obtaining the molar heat capacities and entropies of HCl and HBr by combining density functional theory and machine learning algorithm.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 18, p. 1, doi. 10.1002/qua.27175
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- Publication type:
- Article
6
Probing the spin states of tetra‐coordinated iron(II) porphyrins by their vibrational and pre K‐edge x‐ray absorption spectra.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 18, p. 1, doi. 10.1002/qua.27174
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- Publication type:
- Article
7
First‐principles quantum analysis of promising double perovskites Z<sub>2</sub>SiF<sub>6</sub> (Z = K, Li, Na, Rb) as prospective light harvesting materials: Optoelectronic, structural and thermodynamic properties.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 18, p. 1, doi. 10.1002/qua.27179
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- Publication type:
- Article
8
Towards quantum state preparation with materials science: An analytical review.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 18, p. 1, doi. 10.1002/qua.27148
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- Publication type:
- Article
9
A conceptual density functional theory approach to substituent effects in fluorescence processes: The case of naphthalimide derivatives.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 18, p. 1, doi. 10.1002/qua.27076
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- Publication type:
- Article
10
Electron density and its reduced density gradient in the study of π–π interactions.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 18, p. 1, doi. 10.1002/qua.27051
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- Publication type:
- Article
11
Issue Information.
- Published in:
- International Journal of Quantum Chemistry, 2023, v. 123, n. 18, p. 1, doi. 10.1002/qua.26943
- Publication type:
- Article